N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide

C17H21ClN4O — CID 47084312

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN4O/c1-21-16(6-9-19-21)17(23)20-15-7-10-22(11-8-15)12-13-2-4-14(18)5-3-13/h2-6,9,15H,7-8,10-12H2,1H3,(H,20,23)
InChIKeyBWISHRWCVOQSKW-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.47
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 47084312) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
PubChem CID47084312
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN4O/c1-21-16(6-9-19-21)17(23)20-15-7-10-22(11-8-15)12-13-2-4-14(18)5-3-13/h2-6,9,15H,7-8,10-12H2,1H3,(H,20,23)
InChIKeyBWISHRWCVOQSKW-UHFFFAOYSA-N
XLogP2.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
CID 25295269
2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
CID 62920465
4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
CID 46438180
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 18121095
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
CID 19475543
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide (CID 47084312) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is BWISHRWCVOQSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-21-16(6-9-19-21)17(23)20-15-7-10-22(11-8-15)12-13-2-4-14(18)5-3-13/h2-6,9,15H,7-8,10-12H2,1H3,(H,20,23).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 47084312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).